3-phenethyl-2-phenyl-2,5,6,7,8,9-hexahydro-[1,3]thiazolo[3,2-a][1,3]diazocin-3-ol hydrobromide

Systemtic Name: 3-phenethyl-2-phenyl-2,5,6,7,8,9-hexahydro-[1,3]thiazolo[3,2-a][1,3]diazocin-3-ol hydrobromide Openeye Name: 3-phenethyl-2-phenyl-2,5,6,7,8,9-hexahydrothiazolo[3,2-a][1,3]diazocin-3-ol hydrobromide CAS Name: 3-phenethyl-2-phenyl-2,5,6,7,8,9-hexahydrothiazolo[3,2-a][1,3]diazocin-3-ol hydrobromide IUPAC Name: 3-phenethyl-2-phenyl-2,5,6,7,8,9-hexahydro-[1,3]thiazolo[3,2-a][1,3]diazocin-3-ol hydrobromide Traditional Name: 3-phenethyl-2-phenyl-2,5,6,7,8,9-hexahydrothiazolo[3,2-a][1,3]diazocin-3-ol hydrobromide Formula: C22H27BrN2OS MolecularWeight: 447.43158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2N(CC1)C(C(S2)C3=CC=CC=C3)(CCC4=CC=CC=C4)O.Br

Isomeric SMILES

C1CCN=C2N(CC1)C(C(S2)C3=CC=CC=C3)(CCC4=CC=CC=C4)O.Br

InChI

InChI=1S/C22H26N2OS.BrH/c25-22(15-14-18-10-4-1-5-11-18)20(19-12-6-2-7-13-19)26-21-23-16-8-3-9-17-24(21)22;/h1-2,4-7,10-13,20,25H,3,8-9,14-17H2;1H